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MMsINC code: MMs03098845

Type: Ionized
Formula: C₁₄H₁₀N₂O₄-2

SMILES:

O=C([O-])c1cc(N)ccc1-c1ccc(N)cc1C(=O)[O-]

InChI:

InChI=1/C14H12N2O4/c15-7-1-3-9(11(5-7)13(17)18)10-4-2-8(16)6-12(10)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1233 kcal/mol

Physical Properties
Molecular Weight: 270.244 g/mol	logS: -3.71272	SlogP: -0.755	Reactive groups: 0

Topological Properties
Globularity: 0.100438	Sterimol/B1: 2.097	Sterimol/B2: 3.82752	Sterimol/B3: 5.11014
Sterimol/B4: 6.01149	Sterimol/L: 13.8313

Surface and Volume Properties
Accessible surface: 464.96	Positive charged surface: 232.842	Negative charged surface: 231.02	Volume: 239.375
Hydrophobic surface: 189.265	Hydrophilic surface: 275.695

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	Acid groups: 4	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs03098844
PUBCHEM-ZINC04202493